CID 206148

Brn 2157350

Structural Information

Molecular Formula
C21H23NO2
SMILES
CCN(CC)CC1=C(C=CC2=C1C=CC3=CC=CC=C3C2=O)OC
InChI
InChI=1S/C21H23NO2/c1-4-22(5-2)14-19-17-11-10-15-8-6-7-9-16(15)21(23)18(17)12-13-20(19)24-3/h6-13H,4-5,14H2,1-3H3
InChIKey
RRYJDXPRLSPZKM-UHFFFAOYSA-N
Compound name
7-(diethylaminomethyl)-6-methoxytricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.17288 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.18016 174.4
[M+Na]+ 344.16210 187.8
[M+NH4]+ 339.20670 182.6
[M+K]+ 360.13604 180.3
[M-H]- 320.16560 178.9
[M+Na-2H]- 342.14755 181.4
[M]+ 321.17233 177.8
[M]- 321.17343 177.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.